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Home > Imidazoles > 1170735-10-0
1170735-10-0 | 5-Formyl-2-(4-methyl-1H-imidazol-1-yl)benzonitrile
CAS No: 1170735-10-0 Catalog No: AG000DNL MDL No:MFCD13180644
Product Description
Catalog Number:
AG000DNL
Chemical Name:
5-Formyl-2-(4-methyl-1H-imidazol-1-yl)benzonitrile
CAS Number:
1170735-10-0
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
MDL Number:
MFCD13180644
IUPAC Name:
5-formyl-2-(4-methylimidazol-1-yl)benzonitrile
InChI:
InChI=1S/C12H9N3O/c1-9-6-15(8-14-9)12-3-2-10(7-16)4-11(12)5-13/h2-4,6-8H,1H3
InChI Key:
RGOUIBRUJROZIW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C=O)ccc1n1cnc(c1)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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